PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-4-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-2(3h)-thiazolylidene]hydrazide (C23H19Cl2N5O3S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H19Cl2N5O3S/c1-2-32-17-6-4-16(5-7-17)30-20(18-8-3-15(24)11-19(18)25)14-34-23(30)29-28-21(31)13-33-22-12-26-9-10-27-22/h3-12,14H,2,13H2,1H3,(H,28,31)/b29-23-

InChIKey

NYXPADAMVPECMZ-FAJYDZGRSA-N

Compound name

N-[(Z)-[4-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	516.06588	216.5
[M+Na]+	538.04782	225.6
[M-H]-	514.05132	226.8
[M+NH4]+	533.09242	222.3
[M+K]+	554.02176	217.9
[M+H-H2O]+	498.05586	205.3
[M+HCOO]-	560.05680	226.0
[M+CH3COO]-	574.07245	224.5
[M+Na-2H]-	536.03327	216.0
[M]+	515.05805	225.8
[M]-	515.05915	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.06588

216.5

[M+Na]+

538.04782

225.6

[M-H]-

514.05132

226.8

[M+NH4]+

533.09242

222.3

[M+K]+

554.02176

217.9

[M+H-H2O]+

498.05586

205.3

[M+HCOO]-

560.05680

226.0

[M+CH3COO]-

574.07245

224.5

[M+Na-2H]-

536.03327

216.0

[M]+

515.05805

225.8

[M]-

515.05915

225.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Acetic acid, (pyrazinyloxy)-, [(2z)-4-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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